Ibazole alcohol
Basic information
- CAS
33328-47-1- Standard SMILES
CC(C)(CCCO)c1nc2sc(C(C)(C)CCCO)nc2s1- InChIKey
MGULMAOLSBMDGP-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2S2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.14357042
Names & identifiers
- Preferred name
- Ibazole alcohol
- IUPAC
- 4-[5-(5-hydroxy-2-methylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentan-1-ol
Names & synonyms
Ibazole alcohol33328-47-1DTXSID60186950delta,delta,delta',delta'-Tetramethylthiazolo(5,4-d)thiazole-2,5-dibutanolThiazolo(5,4-d)thiazole-2,5-dibutanol, delta,delta,delta',delta'-tetramethyl-RefChem:348450DTXCID001094414,4'-([1,3]Thiazolo[5,4-d][1,3]thiazole-2,5-diyl)bis(4-methylpentan-1-ol)
Database identifiers
- CAS
33328-47-1- PubChem CID
- 214511
- DTXSID
DTXSID60186950
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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